[Pw_forum] Questions on the warning message from relax calculation

[Tram Bui]

Dear QE users,

        I ran a relax calculation of Cs substitution silicon atom in grain
boundary SiC and when I looked at the output file, I saw the message
below
     WARNING: integrated charge=  1020.00000000, expected=  1021.00000000
       My question is, will it effect the calculated total energy values?
Can this be neglected? if not, what should I do to fix it, should I add
charge_tot=+1 to make it 1021?

Best Regards,
Tram Bui

M.S. Materials Science & Engineering
trambui at u.boisestate.edu
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